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CAS 2055041-41-1 NH-(PEG4-t-butyl ester)2 molecular structure lightbox
CAS RN: 2055041-41-1

NH-(PEG4-t-butyl ester)2

  • Product code: SSC-096661
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2055041-41-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g >95% 5 In Stock Beijing Inquiry

2055041-41-1 / tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 2055041-41-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055041-41-1
Multi CAS
No
Molecular Formula
C30H59NO12
Molecular Weight
625.800000
Exact Mass
625.403726
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCNCCOCCOCCOCCOCCC(=O)OC(C)(C)C
InChI
InChI=1S/C30H59NO12/c1-29(2,3)42-27(32)7-11-34-15-19-38-23-25-40-21-17-36-13-9-31-10-14-37-18-22-41-26-24-39-20-16-35-12-8-28(33)43-30(4,5)6/h31H,7-26H2,1-6H3
InChIKey
ZNEKZIKFKNVSRU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Fraction Csp3
0.93
Rotatable bonds
30
H-bond acceptors
13
H-bond donors
1
Molar refractivity
160.35
TPSA
138.47

LogP / Solubility

WLOGP
2.17
MLOGP
1.96
XLogP3
0.2
Consensus LogP
1.44
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.99

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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